Cluster analysis of hydration waters around the active sites of bacterial alanine racemase using a 2-ns MD simulation

Biopolymers

Volumn 89, Issue 3, 2008, Pages 210-219

  Huang, Hung Chung ^a   Jupiter, Daniel ^a   Qiu, Meikang ^b   Briggs, James M ^c   VanBuren, Vincent ^a  

^a Dept of Psychiat and Behav Sci   (United States)

^b UNO College of Engineering   (United States)

^c University of Houston   (United States)

Author keywords

Alanine racemase; Cluster analysis; Complete linkage; Molecular dynamics; Water hydration sites

Indexed keywords

CLUSTER ANALYSIS; COMPUTER SIMULATION; ENZYME ACTIVITY; MOLECULAR DYNAMICS;

ALANINE RACEMASE; COMPLETE LINKAGE; WATER HYDRATION SITES;

BACTERIA;

ALANINE RACEMASE;

ALGORITHM; ARTICLE; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; ENZYME STRUCTURE; ENZYME SUBSTRATE; HYDRATION; MOLECULAR DYNAMICS; PROTEIN BINDING; SIMULATION; X RAY CRYSTALLOGRAPHY;

ALANINE RACEMASE; BACILLUS STEAROTHERMOPHILUS; BINDING SITES; CATALYSIS; CLUSTER ANALYSIS; COMPUTER SIMULATION; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; MOTION; PROTEIN STRUCTURE, SECONDARY; SOLVENTS; WATER;

BACTERIA (MICROORGANISMS); GEOBACILLUS;

EID: 38949121610     PISSN: 00063525     EISSN: 10970282     Source Type: Journal    
DOI: 10.1002/bip.20893     Document Type: Article

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